11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C33H23B — CID 174089723

IUPAC11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc2c(c1)Cc1cc(C3c4ccccc4-c4ccccc43)cc3c1B2c1ccccc1C3
InChIInChI=1S/C33H23B/c1-7-15-30-21(9-1)17-24-19-23(20-25-18-22-10-2-8-16-31(22)34(30)33(24)25)32-28-13-5-3-11-26(28)27-12-4-6-14-29(27)32/h1-16,19-20,32H,17-18H2
InChIKeyJKHRVNCYYKUCCB-UHFFFAOYSA-N
MW430.36 g/mol
LogP5.17
Rot. Bonds1

About 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 174089723) has the molecular formula C33H23B and a molecular weight of 430.36 g/mol. Its IUPAC name is 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID174089723
Molecular FormulaC33H23B
Molecular Weight430.36 g/mol
Exact Mass430.19
IUPAC Name11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc2c(c1)Cc1cc(C3c4ccccc4-c4ccccc43)cc3c1B2c1ccccc1C3
InChIInChI=1S/C33H23B/c1-7-15-30-21(9-1)17-24-19-23(20-25-18-22-10-2-8-16-31(22)34(30)33(24)25)32-28-13-5-3-11-26(28)27-12-4-6-14-29(27)32/h1-16,19-20,32H,17-18H2
InChIKeyJKHRVNCYYKUCCB-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

11-(2-tert-butylphenyl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 174066974
4-[3,5-bis(1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 167707338
16-aza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(35),3,5,7,10,12,14,17,19,21,24,26,28,31,33-pentadecaene
CID 174112049
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
9-phenyl-9H-fluorene
CID 13091
ethane;spiro[1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]
CID 164956108
ethane;spiro[1,9-diboraundecacyclo[29.11.1.19,17.02,29.04,27.06,25.08,23.010,15.035,43.037,42.021,44]tetratetraconta-2,4(27),6(25),7,10,12,14,17(44),18,20,23,28,31,33,35(43),37,39,41-octadecaene-5,9'-fluorene]
CID 165031628
2-[9-[2-(9H-fluoren-4-yl)phenyl]-9H-fluoren-3-yl]-9-phenyl-9H-fluorene
CID 159754601
9H-fluorene;9H-fluoren-9-ol
CID 68734201
undecacyclo[13.13.13.02,14.04,12.05,10.016,28.018,26.020,25.029,41.031,39.032,37]hentetraconta-2(14),3,5,7,9,12,16(28),17,20,22,24,26,29(41),30,32,34,36,39-octadecaene
CID 132604363
1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 102347214
5-N,5-N,17-N,17-N-tetraphenyl-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,17-diamine
CID 174098122

Frequently Asked Questions

What is the IUPAC name of 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 174089723) is 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc2c(c1)Cc1cc(C3c4ccccc4-c4ccccc43)cc3c1B2c1ccccc1C3.
What is the InChIKey of 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is JKHRVNCYYKUCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23B/c1-7-15-30-21(9-1)17-24-19-23(20-25-18-22-10-2-8-16-31(22)34(30)33(24)25)32-28-13-5-3-11-26(28)27-12-4-6-14-29(27)32/h1-16,19-20,32H,17-18H2.
What are the key properties of 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 430.36 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9H-fluoren-9-yl)-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 174089723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).